2-amino-2-[3-fluoro-2-methoxy-4-(methoxymethyl)phenyl]ethanol

C11H16FNO3 — CID 117330299

IUPAC2-amino-2-[3-fluoro-2-methoxy-4-(methoxymethyl)phenyl]ethanol
SMILESCOCc1ccc(C(N)CO)c(OC)c1F
InChIInChI=1S/C11H16FNO3/c1-15-6-7-3-4-8(9(13)5-14)11(16-2)10(7)12/h3-4,9,14H,5-6,13H2,1-2H3
InChIKeyNCOHPHDGVDDBOE-UHFFFAOYSA-N
MW229.25 g/mol
LogP0.97
Rot. Bonds5

About 2-amino-2-[3-fluoro-2-methoxy-4-(methoxymethyl)phenyl]ethanol

2-amino-2-[3-fluoro-2-methoxy-4-(methoxymethyl)phenyl]ethanol (PubChem CID 117330299) has the molecular formula C11H16FNO3 and a molecular weight of 229.25 g/mol. Its IUPAC name is 2-amino-2-[3-fluoro-2-methoxy-4-(methoxymethyl)phenyl]ethanol.

Molecular Properties

Compound Name2-amino-2-[3-fluoro-2-methoxy-4-(methoxymethyl)phenyl]ethanol
PubChem CID117330299
Molecular FormulaC11H16FNO3
Molecular Weight229.25 g/mol
Exact Mass229.11
IUPAC Name2-amino-2-[3-fluoro-2-methoxy-4-(methoxymethyl)phenyl]ethanol
SMILESCOCc1ccc(C(N)CO)c(OC)c1F
InChIInChI=1S/C11H16FNO3/c1-15-6-7-3-4-8(9(13)5-14)11(16-2)10(7)12/h3-4,9,14H,5-6,13H2,1-2H3
InChIKeyNCOHPHDGVDDBOE-UHFFFAOYSA-N
XLogP0.97
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.25
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-fluoro-2-methoxy-4-(methoxymethyl)phenyl]-2-(methylamino)ethanol
CID 117359829
2-amino-2-[2-fluoro-4-methoxy-5-(methoxymethyl)phenyl]ethanol
CID 117330301
(2R)-2-amino-2-(2,3,4-trimethoxyphenyl)ethanol
CID 42579797
(2R)-2-amino-2-(3-fluoro-2-methoxyphenyl)ethanol;hydrochloride
CID 121235718
3-(1-amino-2-hydroxyethyl)-6-chloro-2-methoxyphenol
CID 117310235
2-amino-2-(3-bromo-2,4-dimethoxyphenyl)ethanol
CID 84714339
2-[3-fluoro-2-methoxy-4-(methoxymethyl)phenyl]propan-2-amine
CID 117327201
(2S)-2-amino-2-(2,3-dimethoxyphenyl)ethanol
CID 55278202
2-amino-2-(2-fluoro-4-methoxyphenyl)ethanol
CID 55272766
2-amino-2-(2-fluoro-4-methoxy-3-methylsulfanylphenyl)ethanol
CID 117334317
2-amino-2-(5-chloro-2,3-difluoro-4-methoxyphenyl)ethanol
CID 84700339
(2S)-2-amino-2-(3,5-difluoro-2-methoxyphenyl)ethanol
CID 66514208

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[3-fluoro-2-methoxy-4-(methoxymethyl)phenyl]ethanol?
The IUPAC name of 2-amino-2-[3-fluoro-2-methoxy-4-(methoxymethyl)phenyl]ethanol (CID 117330299) is 2-amino-2-[3-fluoro-2-methoxy-4-(methoxymethyl)phenyl]ethanol.
What is the SMILES notation for 2-amino-2-[3-fluoro-2-methoxy-4-(methoxymethyl)phenyl]ethanol?
The canonical SMILES for 2-amino-2-[3-fluoro-2-methoxy-4-(methoxymethyl)phenyl]ethanol is COCc1ccc(C(N)CO)c(OC)c1F.
What is the InChIKey of 2-amino-2-[3-fluoro-2-methoxy-4-(methoxymethyl)phenyl]ethanol?
The InChIKey is NCOHPHDGVDDBOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNO3/c1-15-6-7-3-4-8(9(13)5-14)11(16-2)10(7)12/h3-4,9,14H,5-6,13H2,1-2H3.
What are the key properties of 2-amino-2-[3-fluoro-2-methoxy-4-(methoxymethyl)phenyl]ethanol?
2-amino-2-[3-fluoro-2-methoxy-4-(methoxymethyl)phenyl]ethanol has a molecular weight of 229.25 g/mol, XLogP of 0.97, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[3-fluoro-2-methoxy-4-(methoxymethyl)phenyl]ethanol is sourced from PubChem (CID 117330299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).